Geometry & MOs

Info

ID:	193012
PubChem CID:	78337138
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	494.090489
ΔH_f, kcal/mol:	62.2
Dipole, Da:	2.73
IP(EA), eV:	-8.78(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-oxo-5-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CCSC2NNNN2C3=CC=CC=C3

DOS

IR

Vibrations